Computer - Aided Design of Cefotaxime-imprinted Polymer
Gvozdkov Vladislav, Nikolay Baryshev, Andrew Dudkin, Nadezhda A. Karaseva
Abstract
Gvozdkov Vladislav, Nikolay Baryshev, Andrew Dudkin, Nadezhda A. Karaseva
Abstract
The application of GAMESS software in the present investigations makes it possible to optimize the choice of the reagents for the subsequent synthesis of a polymer molecularly imprinted by cefotaxime. Methacrylic acid was chosen as an optimal functional monomer, ethylene glycol dimethacrylate - as a cross-monomer, an optimal molar ratio of cefotaxime to methacrylic acid of 1:5 was also found.
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The application of GAMESS software in the present investigations makes it possible to optimize the choice of the reagents for the subsequent synthesis of a polymer molecularly imprinted by cefotaxime. Methacrylic acid was chosen as an optimal functional monomer, ethylene glycol dimethacrylate - as a cross-monomer, an optimal molar ratio of cefotaxime to methacrylic acid of 1:5 was also found.
Key concepts: Methacrylic acid, Ethylene glycol dimethacrylate, Cefotaxime, Molecularly imprinted polymer, Polymer, Reagent, Monomer, Methacrylate